BDBM50254289 CHEMBL4091215

SMILES: Cl.COc1cc(CN2CCCC2)ccc1O

InChI Key: InChIKey=LOUFFTSSGXOXOB-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50254289   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50254289 (CHEMBL4091215) Show SMILES Cl.COc1cc(CN2CCCC2)ccc1O Show InChI InChI=1S/C12H17NO2/c1-15-12-8-10(4-5-11(12)14)9-13-6-2-3-7-13/h4-5,8,14H,2-3,6-7,9H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	9.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Biochemistry, The Ohio State University, Marion Campus, 1465 Mt. Vernon Avenue, Marion, Ohio 43302, United States. Curated by ChEMBL					Assay Description Mixed type inhibition of Electric eel AChE assessed as inhibition constant using acetylthiocholine as substrate after 7 min by Ellman's method				ACS Med Chem Lett 8: 622-627 (2017) Article DOI: 10.1021/acsmedchemlett.7b00037 BindingDB Entry DOI: 10.7270/Q20V8G76
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50254289 (CHEMBL4091215) Show SMILES Cl.COc1cc(CN2CCCC2)ccc1O Show InChI InChI=1S/C12H17NO2/c1-15-12-8-10(4-5-11(12)14)9-13-6-2-3-7-13/h4-5,8,14H,2-3,6-7,9H2,1H3	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	4.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Department of Chemistry and Biochemistry, The Ohio State University, Marion Campus, 1465 Mt. Vernon Avenue, Marion, Ohio 43302, United States. Curated by ChEMBL					Assay Description Inhibition of Electric eel AChE using acetylthiocholine as substrate after 7 min by Ellman's method				ACS Med Chem Lett 8: 622-627 (2017) Article DOI: 10.1021/acsmedchemlett.7b00037 BindingDB Entry DOI: 10.7270/Q20V8G76
					More data for this Ligand-Target Pair